Stacking fault effects in Mg-doped GaN

T. M. Schmidt, R. H. Miwa, W. Orellana, H. Chacham

Resultado de la investigación: Contribución a una revistaArtículo

7 Citas (Scopus)

Resumen

First-principles total energy calculations are performed to investigate the interaction of a stacking fault with a p-type impurity in both zinc-blende and wurtzite GaN. For both structures we find that, in the presence of a stacking fault, the impurity level is a more localized state in the band gap. In zinc-blende GaN, the minimum energy position of the substitutional Mg atom is at the plane of the stacking fault. In contrast, in wurtzite GaN the substitutional Mg atom at the plane of the stacking fault is a local minimum and the global minimum is the substitutional Mg far from the fault. This behavior can be understood as a packing effect which induces a distinct strain relief process, since the local structure of the stacking fault in zinc-blende GaN is similar to fault-free wurtzite GaN and vice-versa.

Idioma originalInglés
Número de artículo033205
Páginas (desde-hasta)332051-332054
Número de páginas4
PublicaciónPhysical Review B - Condensed Matter and Materials Physics
Volumen65
N.º3
EstadoPublicada - 15 ene 2002

Áreas temáticas de ASJC Scopus

  • Materiales electrónicos, ópticos y magnéticos
  • Física de la materia condensada

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    Schmidt, T. M., Miwa, R. H., Orellana, W., & Chacham, H. (2002). Stacking fault effects in Mg-doped GaN. Physical Review B - Condensed Matter and Materials Physics, 65(3), 332051-332054. [033205].